O-(Fluorodimethylsilyl)phenyllithium as a versatile reagent for preparation of unsymmetrical, silicon-functionalized o-disilylbenzenes

Organometallics

Volumn 26, Issue 19, 2007, Pages 4697-4699

  Kawachi, Atsushi ^a   Tani, Atsushi ^a   Machida, Koji ^a   Yamamoto, Yohsuke ^a  

^a HIROSHIMA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COORDINATION REACTIONS; DENSITY FUNCTIONAL THEORY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; NUCLEOPHILES; PHENOLS; SUBSTITUTION REACTIONS;

HALOSILANES; INTRAMOLECULAR COORDINATION; LITHIUM ATOM; NUCLEOPHILIC ARYLLITHIUM MOIETY;

ORGANOMETALLICS;

EID: 34748868421     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om070161c     Document Type: Article

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32. 16cd demonstrated that o-(dimethylaminomethyl) phenyllithium, which is structurally analogous to 1, forms three isomeric chelated dimers in ethereal solvents: one with both nitrogens coordinated to one lithium of the dimer and two in which each lithium bears one chelating group. We performed preliminary calculations for the three corresponding plausible isomers and found that III is the most stable isomer among them: see Supporting Information.
33. The structure of 2 was optimized by using DFT calculations at the B3LYP/6-311 +G(2d,p) level.